CID 122549

Einecs 251-021-9

Structural Information

Molecular Formula
C17H26O
SMILES
CC(=O)C1=C2CC3(CCC2(CC3)C(CC1)(C)C)C
InChI
InChI=1S/C17H26O/c1-12(18)13-5-6-15(2,3)17-9-7-16(4,8-10-17)11-14(13)17/h5-11H2,1-4H3
InChIKey
QDPCSMUJYFCULY-UHFFFAOYSA-N
Compound name
1-(2,2,8-trimethyl-5-tricyclo[6.2.2.01,6]dodec-5-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

246.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 161.5
[M+Na]+ 269.18758 166.2
[M-H]- 245.19108 160.5
[M+NH4]+ 264.23218 189.0
[M+K]+ 285.16152 162.1
[M+H-H2O]+ 229.19562 154.5
[M+HCOO]- 291.19656 169.0
[M+CH3COO]- 305.21221 170.9
[M+Na-2H]- 267.17303 169.4
[M]+ 246.19781 160.9
[M]- 246.19891 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe